Match Hartree energy
Commits >
Commit efc44ae2259e56922145db535c825ce53e4127cb >
Run intel_mpi_autotools: [intel2023a-mpi] >
Input 12-boron_nitride.01-gs.inp
| Value | Reference | Precision | Status |
| -5.236158351100000e+02 | -5.236158307700000e+02 | 7.780000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)